N-(2,6-dimethylphenyl)-2-ethylsulfonyl-5-[furan-2-ylmethyl-(phenylmethyl)amino]pyrimidine-4-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-ethylsulfonyl-5-[furan-2-ylmethyl-(phenylmethyl)amino]pyrimidine-4-carboxamide Openeye Name: 5-[benzyl(2-furylmethyl)amino]-N-(2,6-dimethylphenyl)-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-ethylsulfonyl-5-[2-furanylmethyl-(phenylmethyl)amino]-4-pyrimidinecarboxamide IUPAC Name: 5-[benzyl(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-[benzyl(2-furfuryl)amino]-N-(2,6-dimethylphenyl)-2-esyl-pyrimidine-4-carboxamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C=CC=C2C)C)N(CC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C=CC=C2C)C)N(CC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C27H28N4O4S/c1-4-36(33,34)27-28-16-23(25(30-27)26(32)29-24-19(2)10-8-11-20(24)3)31(18-22-14-9-15-35-22)17-21-12-6-5-7-13-21/h5-16H,4,17-18H2,1-3H3,(H,29,32)